Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.48 |
| ▸ | MAP3K7 | O43318 | 2/20 | 0.40 |
| ▸ | TAB1 | Q15750 | 2/20 | 0.40 |
| ▸ | ACACB | O00763 | 3/20 | 0.40 |
| ▸ | ACACA | Q13085 | 3/20 | 0.40 |
| ▸ | SMO | Q99835 | 1/20 | 0.39 |
| ▸ | BTK | Q06187 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 2/20 | 0.38 |
| ▸ | NCF1 | P14598 | 1/20 | 0.38 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL358330 | 0.89 | PARP1 (0.47) | PARP1CNR1RPS6KB1AURKAAURKB | |
| SCHEMBL10172648 | 0.88 | PARP1 (0.41) | PARP1BTKCNR1RPS6KB1AURKA | |
| SCHEMBL359223 | 0.86 | PARP1 (0.49) | PARP1BTK | |
| SCHEMBL10173016 | 0.85 | PARP1 (0.51) | PARP1MAP3K7TAB1ACACBACACA | |
| Hydrochloric Acid SCHEMBL357948 | 0.82 | RPS6KB1 (0.48) | PARP1RPS6KB1AURKAPARP2 | |
| SCHEMBL370739 | 0.81 | PARP1 (0.46) | PARP1 | |
| SCHEMBL27917093 | 0.80 | PIK3CA (0.39) | ACACBACACASMOBTKCNR1 | |
| SCHEMBL370599 | 0.78 | PARP1 (0.46) | PARP1 | |
| SCHEMBL368905 | 0.77 | PARP1 (0.49) | PARP1 | |
| SCHEMBL358670 | 0.72 | PARP1 (0.52) | PARP1TP53 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012006958-A1 | AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS | ZHEJIANG BETA PHARMA INC. (CN) | 2012-01-19 | — | — | WO | claimed |
| WO-2012006958-A1 | AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS | ZHEJIANG BETA PHARMA INC. (CN) | 2012-01-19 | — | — | WO | disclosed |
| WO-2012006958-A1 | AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS | ZHEJIANG BETA PHARMA INC. (CN) | 2012-01-19 | — | — | WO | disclosed |